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Chemical ID: 5389240
Chemical ID:
5389240
Name [?]:
N-(2,3-dimethylphenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CSc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C19H18N2OS2/c1-13-7-6-10-16(14(13)2)20-18(22)12-24-19-21-17(11-23-19)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,23,4,3,20,24,5,17,12,2,7,19,6,16,10,14,9,15,11,18,13/E:(4,5)(8,9)/rA:24nCCCCCCCCNCOCSCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2OS2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3045 |
Area: | 573.138 |
Solvation: | -3.02398 |
Coulombic: | -28.1939 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.37 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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